N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H24ClN5O3S3 MolecularWeight: 538.10566

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=NN=C(N3C4CC4)C5=CC=CS5

InChI

InChI=1S/C22H24ClN5O3S3/c23-17-9-8-16(34(30,31)27-10-2-1-3-11-27)13-18(17)24-20(29)14-33-22-26-25-21(19-5-4-12-32-19)28(22)15-6-7-15/h4-5,8-9,12-13,15H,1-3,6-7,10-11,14H2,(H,24,29)